1-(Furan-2-ylmethyl)piperidin-1-ium-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(Furan-2-ylmethyl)piperidin-1-ium-4-carboxylate
• 化学式: C11H15NO3
• 分子量: 209.24
• InChiKey: IODLAFGCWHHWTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  53.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(氨基甲基)-3-(三氟甲基)苄腈 、 1-(Furan-2-ylmethyl)piperidin-1-ium-4-carboxylate 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 以86 %的产率得到N-(4-cyano-2-(trifluoromethyl)benzyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
  参考文献：
  名称：

  DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN

  摘要：

  The present invention provides compounds of formula (I) for use in the treatment or prevention of pain. The present invention further provides compounds of formula (I') or (Ibis), as well as pharmaceutical composition comprising thereof. Advantageously, the compounds of formula (I), (I') and (Ibis) show a dual effect, inhibiting the soluble epoxide hydrolase and binding to S1 receptor, two of the targets well-documented as involved in pain. (I)

  公开号：

  WO2024105234A1

文献信息

• DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN
  申请人：[en]UNIVERSITAT DE BARCELONA

  公开号：WO2024105234A1

  公开（公告）日：2024-05-23

  The present invention provides compounds of formula (I) for use in the treatment or prevention of pain. The present invention further provides compounds of formula (I') or (Ibis), as well as pharmaceutical composition comprising thereof. Advantageously, the compounds of formula (I), (I') and (Ibis) show a dual effect, inhibiting the soluble epoxide hydrolase and binding to S1 receptor, two of the targets well-documented as involved in pain. (I)